| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1MX00PIM4H |
| EPA CompTox | DTXSID0058275 |
Structure
| InChI Key | XSKZXGDFSCCXQX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H14N4O7S2 |
| Molecular Weight | 390.03 |
| AlogP | -0.1 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 142.08 |
| Heavy Atoms | 25.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 317815-83-1 |
| NORMAN SUSDAT | |
| FDA SRS | 1MX00PIM4H |
| PubChem | 11205153 |
| ChemSpider | 9380215.0 |
CONTENTS
